#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3x n GLY 2 N 0.00 -1.45 2.11 3.03 0.00 -1.26 -5.09 105.19 102.53 1j3x n GLY 2 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 1j3x n GLY 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3x n LYS 3 N 0.00 0.81 -1.21 1.61 4.81 -1.26 -4.85 118.16 118.06 1j3x n LYS 3 Ca 0.00 -1.70 -0.32 0.00 -0.87 0.00 0.00 58.31 55.41 1j3x n LYS 3 Cb 0.00 -0.11 0.11 0.00 0.02 0.00 0.00 35.03 35.05 1j3x n LYS 3 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1j3x s GLY 4 N -3.39 1.98 0.15 3.14 0.00 -1.26 -4.70 107.32 103.24 1j3x s GLY 4 Ca 0.32 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.56 1j3x s GLY 4 CO 0.20 1.01 0.30 0.99 0.00 0.00 0.00 173.10 175.60 1j3x s ASP 5 N -2.59 0.01 0.05 1.64 1.11 -1.26 -5.04 116.67 110.59 1j3x s ASP 5 Ca 0.68 -0.77 -0.18 0.00 0.18 0.00 0.00 52.55 52.46 1j3x s ASP 5 Cb -0.23 0.44 -0.18 0.00 1.07 0.00 0.00 42.92 44.01 1j3x s ASP 5 CO 0.51 -0.88 1.23 1.55 1.18 0.00 0.00 175.17 178.76 1j3x h PRO 6 N 2.53 0.53 -0.71 8.23 0.13 -2.00 -3.37 132.00 137.35 1j3x h PRO 6 Ca -0.32 -0.43 -0.36 0.00 -0.87 0.00 0.00 66.00 64.02 1j3x h PRO 6 Cb 1.23 0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.04 1j3x h PRO 6 CO 0.48 1.06 -1.04 0.09 -0.23 0.00 0.00 178.00 178.37 1j3x n ASN 7 N -4.22 2.56 -3.90 1.44 3.02 -1.26 -5.07 115.26 107.82 1j3x n ASN 7 Ca -0.08 -2.69 -0.11 0.00 -0.03 0.00 0.00 54.58 51.68 1j3x n ASN 7 Cb 0.61 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 1j3x n ASN 7 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1j3x s LYS 8 N -3.60 0.36 0.75 3.52 2.20 -1.26 -5.15 119.74 116.55 1j3x s LYS 8 Ca 0.34 -0.36 -0.11 0.00 -0.36 0.00 0.00 55.97 55.48 1j3x s LYS 8 Cb 0.38 0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.88 1j3x s LYS 8 CO -0.02 -0.08 1.08 -1.25 -0.36 0.00 0.00 175.35 174.72 1j3x s PRO 9 N -1.13 2.47 -0.41 4.03 0.04 -1.26 -4.24 135.00 134.50 1j3x s PRO 9 Ca -0.12 0.98 0.05 0.00 0.04 0.00 0.00 61.00 61.95 1j3x s PRO 9 Cb -0.07 -1.94 0.61 0.00 0.04 0.00 0.00 34.50 33.15 1j3x s PRO 9 CO 0.00 -1.44 1.79 -2.13 0.04 0.00 0.00 177.00 175.26 1j3x n ARG 10 N -3.36 2.15 0.00 4.56 0.63 -1.26 -4.82 116.66 114.56 1j3x n ARG 10 Ca 0.08 -3.09 0.00 0.00 -0.92 0.00 0.00 57.85 53.92 1j3x n ARG 10 Cb 0.54 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 31.37 1j3x n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j3x n GLY 11 N -1.13 0.96 0.00 5.14 0.00 -1.26 -4.93 105.19 103.96 1j3x n GLY 11 Ca 0.52 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1j3x n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3x n LYS 12 N 0.11 1.22 -3.84 1.61 5.02 -1.26 -4.99 118.16 116.03 1j3x n LYS 12 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1j3x n LYS 12 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 1j3x n LYS 12 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j3x s MET 13 N -1.14 1.12 0.76 1.97 -1.94 -1.26 -5.05 119.30 113.75 1j3x s MET 13 Ca 0.00 -0.19 -0.02 0.00 -1.71 0.00 0.00 55.69 53.77 1j3x s MET 13 Cb 0.00 -1.50 0.15 0.00 2.01 0.00 0.00 34.83 35.49 1j3x s MET 13 CO 0.00 -0.34 1.05 0.45 -0.01 0.00 0.00 175.02 176.16 1j3x s SER 14 N 1.80 4.11 0.39 3.03 0.15 -1.26 -4.52 113.70 117.40 1j3x s SER 14 Ca 0.04 -0.40 0.17 0.00 0.70 0.00 0.00 55.95 56.47 1j3x s SER 14 Cb -0.13 0.12 0.81 0.00 -1.71 0.00 0.00 66.02 65.11 1j3x s SER 14 CO -0.07 -2.03 1.82 0.77 1.20 0.00 0.00 173.24 174.93 1j3x h SER 15 N -0.69 0.00 0.03 5.45 4.64 -1.92 -2.77 113.55 118.30 1j3x h SER 15 Ca -0.36 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1j3x h SER 15 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1j3x h SER 15 CO 0.38 0.35 -0.02 0.22 -0.87 0.00 0.00 176.83 176.88 1j3x h TYR 16 N 0.00 0.00 0.00 4.77 3.20 -1.94 -0.53 116.97 122.47 1j3x h TYR 16 Ca -0.00 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 1j3x h TYR 16 Cb 0.72 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1j3x h TYR 16 CO 0.00 0.02 -0.84 0.00 -1.64 0.00 0.00 178.16 175.70 1j3x h ALA 17 N 1.98 0.56 0.00 1.82 0.00 -1.87 -3.15 119.26 118.60 1j3x h ALA 17 Ca -0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 53.94 1j3x h ALA 17 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1j3x h ALA 17 CO 0.00 1.04 -1.08 0.74 0.00 0.00 0.00 179.25 179.95 1j3x h PHE 18 N 0.00 0.00 0.43 0.00 -1.00 -1.31 -2.96 116.94 112.10 1j3x h PHE 18 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1j3x h PHE 18 Cb 1.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.09 1j3x h PHE 18 CO 0.00 0.89 -0.21 0.35 -1.61 0.00 0.00 178.31 177.74 1j3x h PHE 19 N 0.00 -0.53 0.00 -0.55 3.57 -1.17 -0.09 116.94 118.17 1j3x h PHE 19 Ca -0.07 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1j3x h PHE 19 Cb 1.74 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.65 1j3x h PHE 19 CO 0.00 -0.21 -0.19 0.28 -2.23 0.00 0.00 178.31 175.96 1j3x h VAL 20 N -0.89 1.02 -0.06 1.41 2.07 -1.69 -1.96 116.25 116.15 1j3x h VAL 20 Ca -0.06 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1j3x h VAL 20 Cb 0.56 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1j3x h VAL 20 CO 0.10 0.19 -0.13 1.56 0.02 0.00 0.00 177.57 179.30 1j3x h GLN 21 N 0.00 0.20 0.00 1.57 1.08 -1.40 0.51 115.11 117.08 1j3x h GLN 21 Ca -0.00 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1j3x h GLN 21 Cb 0.36 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1j3x h GLN 21 CO 0.02 0.72 -0.25 1.15 -0.95 0.00 0.00 178.83 179.53 1j3x h THR 22 N -0.29 1.12 0.00 -0.54 2.02 -0.79 -2.08 112.91 112.35 1j3x h THR 22 Ca 0.00 -0.87 -0.20 0.00 0.77 0.00 0.00 66.41 66.12 1j3x h THR 22 Cb 0.72 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 1j3x h THR 22 CO 0.03 0.24 -1.13 0.28 0.37 0.00 0.00 175.52 175.32 1j3x h SER 23 N 0.00 0.00 -0.08 4.18 0.02 -1.31 -3.27 113.55 113.08 1j3x h SER 23 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1j3x h SER 23 Cb 0.46 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1j3x h SER 23 CO 0.03 0.80 -0.76 -0.09 -1.14 0.00 0.00 176.83 175.67 1j3x h ARG 24 N 0.00 0.73 0.42 3.45 2.43 -0.48 -2.46 114.38 118.48 1j3x h ARG 24 Ca -0.10 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 58.46 1j3x h ARG 24 Cb 1.70 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1j3x h ARG 24 CO 0.09 1.20 -0.20 0.93 -1.51 0.00 0.00 179.97 180.48 1j3x h GLU 25 N 0.50 -0.55 0.00 0.20 5.08 -1.50 -1.87 114.58 116.44 1j3x h GLU 25 Ca -0.05 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1j3x h GLU 25 Cb 1.38 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1j3x h GLU 25 CO 0.15 -0.31 -0.03 1.49 -1.00 0.00 0.00 179.01 179.31 1j3x h GLU 26 N -0.67 0.00 -0.22 2.33 4.57 -1.64 -1.75 114.58 117.20 1j3x h GLU 26 Ca -0.06 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.99 1j3x h GLU 26 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1j3x h GLU 26 CO 0.10 0.03 -0.41 1.25 -1.18 0.00 0.00 179.01 178.80 1j3x h HIS 27 N 0.00 0.60 0.72 0.92 2.76 -1.01 -2.58 115.15 116.56 1j3x h HIS 27 Ca -0.00 -0.18 -0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1j3x h HIS 27 Cb 0.06 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 28.90 1j3x h HIS 27 CO 0.00 0.84 -0.34 0.87 -1.30 0.00 0.00 177.93 178.00 1j3x h LYS 28 N 0.42 -0.93 -0.07 5.26 1.57 -0.50 0.82 116.57 123.14 1j3x h LYS 28 Ca 0.04 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1j3x h LYS 28 Cb 0.90 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1j3x h LYS 28 CO 0.08 -0.59 0.08 0.87 -0.57 0.00 0.00 179.45 179.32 1j3x h LYS 29 N -1.15 0.00 0.00 3.15 1.57 -1.60 -0.42 116.57 118.12 1j3x h LYS 29 Ca -0.10 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1j3x h LYS 29 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1j3x h LYS 29 CO 0.16 0.00 -1.26 1.17 -0.57 0.00 0.00 179.45 178.95 1j3x n LYS 30 N -3.77 0.62 -3.64 3.15 4.81 -0.97 -4.63 118.16 113.73 1j3x n LYS 30 Ca -0.01 0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.23 1j3x n LYS 30 Cb 0.17 -1.77 -0.12 0.00 0.02 0.00 0.00 35.03 33.33 1j3x n LYS 30 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1j3x s HIS 31 N -3.29 1.92 0.22 5.64 3.76 0.28 -4.95 115.29 118.87 1j3x s HIS 31 Ca -0.02 -2.48 0.11 0.00 -0.15 0.00 0.00 55.06 52.52 1j3x s HIS 31 Cb 0.10 -1.70 0.28 0.00 1.11 0.00 0.00 32.58 32.37 1j3x s HIS 31 CO 0.81 -0.76 1.56 -1.00 -0.85 0.00 0.00 174.74 174.51 1j3x h PRO 32 N 6.26 0.00 -2.39 8.40 0.13 -1.80 -3.37 132.00 139.23 1j3x h PRO 32 Ca 0.09 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.62 1j3x h PRO 32 Cb 0.90 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.61 1j3x h PRO 32 CO 0.47 0.66 -0.68 -3.47 -0.23 0.00 0.00 178.00 174.75 1j3x n ASP 33 N -3.67 2.84 -3.64 1.44 2.03 -1.26 -5.04 116.55 109.25 1j3x n ASP 33 Ca -0.01 -3.22 -0.10 0.00 0.52 0.00 0.00 54.79 51.98 1j3x n ASP 33 Cb 0.67 -0.68 -0.07 0.00 -0.72 0.00 0.00 41.12 40.31 1j3x n ASP 33 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1j3x s SER 34 N -1.91 -0.84 0.03 1.67 0.01 -1.26 -5.14 113.70 106.26 1j3x s SER 34 Ca 0.35 1.46 -0.28 0.00 1.31 0.00 0.00 55.95 58.79 1j3x s SER 34 Cb 0.10 1.41 -0.04 0.00 0.21 0.00 0.00 66.02 67.70 1j3x s SER 34 CO -0.07 -0.24 0.90 -0.94 0.41 0.00 0.00 173.24 173.29 1j3x s SER 35 N 1.03 7.32 -0.40 2.44 1.04 -1.26 -4.99 113.70 118.88 1j3x s SER 35 Ca -0.05 1.59 0.09 0.00 0.48 0.00 0.00 55.95 58.06 1j3x s SER 35 Cb -0.05 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.81 1j3x s SER 35 CO -0.10 -0.14 0.66 0.55 0.98 0.00 0.00 173.24 175.19 1j3x n VAL 36 N 3.41 -0.42 0.00 5.02 3.14 -1.26 -5.01 118.33 123.21 1j3x n VAL 36 Ca 0.03 -3.65 0.00 0.00 -2.96 0.00 0.00 64.34 57.76 1j3x n VAL 36 Cb 0.50 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.46 1j3x n VAL 36 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1j3x n ASN 37 N 1.09 -1.53 -0.08 6.55 0.23 -1.26 -4.62 115.26 115.63 1j3x n ASN 37 Ca 0.19 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.10 1j3x n ASN 37 Cb 0.59 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 1j3x n ASN 37 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1j3x h PHE 38 N -1.77 1.00 -0.14 -2.53 0.04 -2.00 -2.91 116.94 108.63 1j3x h PHE 38 Ca 0.00 -0.35 -0.12 0.00 2.80 0.00 0.00 57.97 60.30 1j3x h PHE 38 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1j3x h PHE 38 CO 0.00 1.15 -0.39 0.00 -0.60 0.00 0.00 178.31 178.47 1j3x h ALA 39 N 0.67 0.24 0.00 2.45 0.00 -1.96 1.24 119.26 121.90 1j3x h ALA 39 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j3x h ALA 39 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1j3x h ALA 39 CO 0.11 0.33 0.00 0.93 0.00 0.00 0.00 179.25 180.62 1j3x h GLU 40 N 0.13 0.00 0.00 0.00 5.08 -1.89 -2.62 114.58 115.29 1j3x h GLU 40 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1j3x h GLU 40 Cb 1.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1j3x h GLU 40 CO 0.08 0.00 -1.57 0.34 -1.00 0.00 0.00 179.01 176.86 1j3x n PHE 41 N -2.55 0.00 0.22 4.33 7.35 -1.09 -4.59 117.46 121.13 1j3x n PHE 41 Ca -0.01 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.86 1j3x n PHE 41 Cb 0.09 -0.37 0.85 0.00 0.35 0.00 0.00 39.48 40.40 1j3x n PHE 41 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1j3x h SER 42 N -0.30 0.00 0.49 -2.13 4.64 0.15 0.16 113.55 116.56 1j3x h SER 42 Ca -0.25 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 1j3x h SER 42 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1j3x h SER 42 CO -0.14 0.00 -0.38 0.11 -0.87 0.00 0.00 176.83 175.55 1j3x h LYS 43 N 0.00 0.00 0.04 4.77 1.79 -1.64 -1.82 116.57 119.72 1j3x h LYS 43 Ca 0.08 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.25 1j3x h LYS 43 Cb 0.58 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 1j3x h LYS 43 CO -0.00 0.38 -1.66 1.17 -1.08 0.00 0.00 179.45 178.26 1j3x n LYS 44 N -3.90 0.63 0.26 3.15 0.00 0.48 -4.02 118.16 114.75 1j3x n LYS 44 Ca -0.01 0.43 0.09 0.00 0.00 0.00 0.00 58.31 58.82 1j3x n LYS 44 Cb 0.44 -1.70 0.66 0.00 0.00 0.00 0.00 35.03 34.42 1j3x n LYS 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3x h SER 46 N 0.00 1.03 0.19 0.00 4.64 -1.48 0.28 113.55 118.21 1j3x h SER 46 Ca -0.00 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1j3x h SER 46 Cb 0.10 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1j3x h SER 46 CO 0.01 1.00 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.48 1j3x h GLU 47 N 1.02 0.00 0.09 4.77 4.39 -1.52 -1.21 114.58 122.13 1j3x h GLU 47 Ca 0.21 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.61 1j3x h GLU 47 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1j3x h GLU 47 CO 0.00 0.15 -1.62 0.00 -1.16 0.00 0.00 179.01 176.38 1j3x h ARG 48 N 0.00 0.19 -0.03 2.33 3.08 -1.38 -3.24 114.38 115.34 1j3x h ARG 48 Ca -0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1j3x h ARG 48 Cb 0.29 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1j3x h ARG 48 CO 0.02 1.16 0.02 2.35 -1.07 0.00 0.00 179.97 182.44 1j3x h TRP 49 N -0.33 0.04 0.00 3.04 2.91 -0.36 0.47 115.95 121.73 1j3x h TRP 49 Ca -0.37 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.63 1j3x h TRP 49 Cb 1.76 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 30.39 1j3x h TRP 49 CO 0.10 0.08 -0.10 0.87 -1.03 0.00 0.00 178.44 178.36 1j3x h LYS 50 N -0.01 0.00 0.00 2.65 6.56 -1.41 -2.41 116.57 121.95 1j3x h LYS 50 Ca 0.01 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.43 1j3x h LYS 50 Cb 0.05 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 1j3x h LYS 50 CO -0.00 0.10 -1.40 1.79 -2.06 0.00 0.00 179.45 177.88 1j3x h THR 51 N 0.00 0.54 -2.67 -0.16 1.35 -1.42 -3.46 112.91 107.08 1j3x h THR 51 Ca -0.00 -2.05 -0.52 0.00 -0.55 0.00 0.00 66.41 63.28 1j3x h THR 51 Cb 0.24 2.07 0.06 0.00 -1.73 0.00 0.00 68.15 68.80 1j3x h THR 51 CO 0.01 0.31 1.00 0.23 -0.25 0.00 0.00 175.52 176.82 1j3x n MET 52 N -2.91 2.75 -2.05 4.72 2.81 0.16 -4.97 117.12 117.63 1j3x n MET 52 Ca -0.10 0.99 -0.31 0.00 -1.81 0.00 0.00 57.70 56.47 1j3x n MET 52 Cb 0.85 -2.83 -0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1j3x n MET 52 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j3x s SER 53 N 1.12 6.32 0.58 7.83 0.01 -1.26 -4.76 113.70 123.54 1j3x s SER 53 Ca 0.75 1.49 0.29 0.00 1.31 0.00 0.00 55.95 59.79 1j3x s SER 53 Cb -0.51 -2.49 1.45 0.00 0.21 0.00 0.00 66.02 64.68 1j3x s SER 53 CO 0.33 -0.81 1.86 0.00 0.41 0.00 0.00 173.24 175.04 1j3x h ALA 54 N 0.11 2.36 0.00 1.44 0.00 -1.93 0.53 119.26 121.77 1j3x h ALA 54 Ca -0.45 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1j3x h ALA 54 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1j3x h ALA 54 CO 0.61 -0.85 -0.48 0.87 0.00 0.00 0.00 179.25 179.40 1j3x h LYS 55 N 0.00 0.00 0.07 0.00 1.57 -2.00 -2.61 116.57 113.59 1j3x h LYS 55 Ca 0.27 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.72 1j3x h LYS 55 Cb 1.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1j3x h LYS 55 CO -0.00 0.48 -1.86 0.39 -0.57 0.00 0.00 179.45 177.89 1j3x n GLU 56 N -3.57 0.70 -0.93 3.15 1.02 0.17 -4.07 120.64 117.13 1j3x n GLU 56 Ca -0.00 0.28 -0.16 0.00 -0.02 0.00 0.00 57.16 57.26 1j3x n GLU 56 Cb 0.58 -1.75 0.16 0.00 -0.02 0.00 0.00 31.44 30.41 1j3x n GLU 56 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1j3x n LYS 57 N -3.29 2.26 0.07 3.49 2.85 -0.42 -4.32 118.16 118.79 1j3x n LYS 57 Ca -0.25 -2.37 -0.06 0.00 -1.05 0.00 0.00 58.31 54.58 1j3x n LYS 57 Cb 1.05 -1.95 -0.10 0.00 -0.65 0.00 0.00 35.03 33.39 1j3x n LYS 57 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1j3x h SER 58 N 1.09 0.00 0.70 -5.58 4.64 -1.61 -2.83 113.55 109.96 1j3x h SER 58 Ca 0.43 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.62 1j3x h SER 58 Cb 2.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.44 1j3x h SER 58 CO 0.80 0.94 -0.63 0.50 -0.87 0.00 0.00 176.83 177.57 1j3x h LYS 59 N 0.00 0.00 0.03 4.77 3.64 -1.88 -2.15 116.57 120.98 1j3x h LYS 59 Ca -0.01 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 1j3x h LYS 59 Cb 1.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.51 1j3x h LYS 59 CO 0.12 0.63 -1.18 0.74 -2.27 0.00 0.00 179.45 177.50 1j3x h PHE 60 N 0.00 0.13 0.00 1.91 -1.00 -1.86 -3.00 116.94 113.12 1j3x h PHE 60 Ca -0.01 -0.10 -0.16 0.00 2.81 0.00 0.00 57.97 60.52 1j3x h PHE 60 Cb 1.15 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 1j3x h PHE 60 CO 0.00 1.09 -0.75 1.49 -1.61 0.00 0.00 178.31 178.53 1j3x h GLU 61 N 0.02 0.00 0.00 1.51 4.81 -1.45 -2.74 114.58 116.73 1j3x h GLU 61 Ca -0.09 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1j3x h GLU 61 Cb 1.86 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 1j3x h GLU 61 CO 0.14 0.75 -0.83 0.22 -0.73 0.00 0.00 179.01 178.56 1j3x h ASP 62 N 0.00 0.00 1.03 1.04 3.58 -1.46 -2.77 116.42 117.84 1j3x h ASP 62 Ca -0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.24 1j3x h ASP 62 Cb 1.44 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.46 1j3x h ASP 62 CO 0.10 0.83 -0.96 0.24 -2.88 0.00 0.00 179.24 176.56 1j3x h MET 63 N 0.00 0.00 0.06 0.28 2.86 -1.53 -3.16 114.93 113.44 1j3x h MET 63 Ca -0.01 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 1j3x h MET 63 Cb 1.57 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.24 1j3x h MET 63 CO 0.11 0.96 -1.08 0.00 1.06 0.00 0.00 176.91 177.96 1j3x h ALA 64 N 1.04 0.22 0.00 6.32 0.00 -1.52 -3.21 119.26 122.11 1j3x h ALA 64 Ca -0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 1j3x h ALA 64 Cb 1.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1j3x h ALA 64 CO 0.13 0.82 -0.30 -0.22 0.00 0.00 0.00 179.25 179.68 1j3x h LYS 65 N 0.21 0.00 -0.89 0.00 3.64 -1.56 -0.58 116.57 117.37 1j3x h LYS 65 Ca -0.12 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1j3x h LYS 65 Cb 1.75 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.52 1j3x h LYS 65 CO 0.19 0.30 0.51 1.03 -2.27 0.00 0.00 179.45 179.21 1j3x h SER 66 N 0.00 1.10 0.65 4.20 0.87 -1.54 -1.52 113.55 117.31 1j3x h SER 66 Ca -0.00 -0.08 -0.24 0.00 -1.23 0.00 0.00 61.79 60.23 1j3x h SER 66 Cb 0.57 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 1j3x h SER 66 CO 0.04 0.87 -1.49 0.44 -0.53 0.00 0.00 176.83 176.15 1j3x h ASP 67 N 1.24 0.00 0.11 6.23 5.19 -1.59 -3.24 116.42 124.36 1j3x h ASP 67 Ca 0.32 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.65 1j3x h ASP 67 Cb -0.01 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1j3x h ASP 67 CO -0.05 0.86 -0.27 0.50 -3.12 0.00 0.00 179.24 177.16 1j3x h LYS 68 N 0.00 0.26 0.00 3.56 3.64 -0.86 -2.78 116.57 120.38 1j3x h LYS 68 Ca -0.21 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 58.89 1j3x h LYS 68 Cb 1.84 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.61 1j3x h LYS 68 CO 0.08 0.52 -0.95 0.00 -2.27 0.00 0.00 179.45 176.82 1j3x h ALA 69 N 1.49 0.44 0.00 5.00 0.00 -1.40 -3.25 119.26 121.54 1j3x h ALA 69 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1j3x h ALA 69 Cb 0.60 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j3x h ALA 69 CO 0.04 1.15 -0.14 -0.09 0.00 0.00 0.00 179.25 180.21 1j3x h ARG 70 N 0.00 0.00 0.00 0.00 2.43 -1.52 -1.90 114.38 113.39 1j3x h ARG 70 Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1j3x h ARG 70 Cb 1.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1j3x h ARG 70 CO 0.11 0.14 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.74 1j3x h TYR 71 N 0.00 0.00 -0.69 2.20 5.03 -1.57 -2.04 116.97 119.90 1j3x h TYR 71 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1j3x h TYR 71 Cb 0.26 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 1j3x h TYR 71 CO 0.00 0.04 0.44 0.22 -1.32 0.00 0.00 178.16 177.55 1j3x h ASP 72 N 0.00 0.81 -1.04 -2.11 3.58 -1.53 -2.46 116.42 113.66 1j3x h ASP 72 Ca -0.00 -0.03 -0.65 0.00 0.42 0.00 0.00 57.03 56.77 1j3x h ASP 72 Cb 0.09 -0.20 -0.33 0.00 1.72 0.00 0.00 39.33 40.61 1j3x h ASP 72 CO 0.01 0.60 0.41 0.54 -2.88 0.00 0.00 179.24 177.91 1j3x n ARG 73 N -4.42 2.96 0.00 0.28 1.74 -0.77 -4.16 116.66 112.30 1j3x n ARG 73 Ca 0.07 -3.58 -0.03 0.00 -0.77 0.00 0.00 57.85 53.54 1j3x n ARG 73 Cb 0.05 -2.28 -0.01 0.00 -1.02 0.00 0.00 32.46 29.19 1j3x n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1j3x n GLU 74 N -0.82 0.17 -0.07 5.56 2.13 -0.93 -4.90 120.64 121.79 1j3x n GLU 74 Ca 0.57 0.07 -0.08 0.00 0.66 0.00 0.00 57.16 58.37 1j3x n GLU 74 Cb 0.70 -0.80 -0.09 0.00 0.27 0.00 0.00 31.44 31.52 1j3x n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1j3x n MET 75 N -3.76 1.40 -3.07 5.31 2.81 -1.26 -4.94 117.12 113.62 1j3x n MET 75 Ca -0.06 0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.46 1j3x n MET 75 Cb 0.21 -1.33 -0.05 0.00 -0.71 0.00 0.00 33.22 31.33 1j3x n MET 75 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1j3x s LYS 76 N -2.32 4.25 0.00 0.03 -0.14 -1.26 -5.19 119.74 115.12 1j3x s LYS 76 Ca -0.12 0.72 0.00 0.00 -1.36 0.00 0.00 55.97 55.21 1j3x s LYS 76 Cb 0.04 -3.56 0.00 0.00 -1.68 0.00 0.00 37.83 32.63 1j3x s LYS 76 CO 0.49 -0.22 0.00 -1.71 -0.76 0.00 0.00 175.35 173.15